2-Diisopropylaminoethanol

HCID 7313CAS 96-80-0

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Basic information

Standard SMILES: CC(C)N(CCO)C(C)C
InChIKey: ZYWUVGFIXPNBDL-UHFFFAOYSA-N
Molecular formula: C8H19NO
Average molar mass: 145.24 g/mol
Monoisotopic mass: 145.14666423

Overview

N,n-diisopropyl ethanolamine appears as a colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Used to make other chemicals.

Names & identifiers

Preferred name: 2-Diisopropylaminoethanol
IUPAC: 2-[di(propan-2-yl)amino]ethanol
English name: 2-Diisopropylaminoethanol
Molecular formula: C8H19NO
Molecular weight: 145.24

Names & synonyms

2-DiisopropylaminoethanolRefChem:8193002-(Diisopropylamino)ethanol96-80-0(Diisopropylamino)ethanolDiisopropylethanolamineN,N-DiisopropylethanolamineN,N-DiisopropylaminoethanolN,N-Diisopropyl ethanolamineEthanol, 2-[bis(1-methylethyl)amino]-(N,N-Diisopropylamino)ethanolEthanol, 2-(diisopropylamino)-

Show more names

DIISOPROPYLAMINOETHANOLn,n-diisopropylDiisopropylethanolaminDI-ISO-PROPYLAMINETHANOLAcotinamide impurity c-5N,N-DIISOPROYLETHANOAMINEEthanol, diisopropylamino-N,N-diisopropylethanoaMine

2-(Diisopropylamino)ethyl alcohol2-[di(propan-2-yl)amino]ethanolNSC 454752-[Bis(Propan-2-Yl)Amino]Ethan-1-OlDTXSID6021822DK7FND4TJZMonoethanoldiisopropylamine2-Diisopropylamino-ethanol

Database identifiers

CAS: 96-80-0
PubChem CID: 7313
DTXSID: DTXSID6021822
ChEMBL: CHEMBL122184
UNII: DK7FND4TJZ
EC Number: 202-536-2
Nikkaji: J34.788D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 73.3

Experimental & physicochemical properties

Chemical ClassesCorrosives

SpringerMaterials PropertiesOptical coefficient

Density0.826 @25 °C

Flash Point175 °F (NFPA, 2010)

Boiling Point190 °C @760 [mm Hg]

Physical DescriptionN,n-diisopropyl ethanolamine appears as a colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Used to make other chemicals.

Physicochemical properties

Melting point: -39 °C · -39 °C
Boiling point: 187 · 187-192 °C(lit.)
Density: 0.826 g/mL · 0.826 g/mL at 25 °C(lit.)
vapor density: 5 · 5 (vs air)
vapor pressure: 1 mm · <1 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.442(lit.)
Flash point: 158 °F · 158 °F
storage temp.: Refrigerator, under inert atmosphere
solubility: Chloroform (Soluble), Methanol (Slightly)
form: Oil
pka: 14.75 · 14.75±0.10(Predicted)
color: Light Yellow to Yellow
BRN: 1697955 · 1697955
Henry's Law Constant: 2.2 · 2.2×100 mol/(m3Pa) at 25℃, Du et al. (2017)
Stability: Stable. Incompatible with acids, strong oxidizing agents.
InChIKey: ZYWUVGFIXPNBDL-UHFFFAOYSA-N
CAS DataBase Reference: 96 · 96-80-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 FND4TJZ · DK7FND4TJZ
NIST Chemistry Reference: (Diisopropylamino)ethanol(96-80-0)
EPA Substance Registry System: 2 · Ethanol, 2-[bis(1-methylethyl)amino]- (96-80-0)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 302 · H302-H311+H331-H314
Precautionary statements: 261 · P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes: T
Risk Statements: 20 · 20/22-24-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2922 · UN 2922 8/PG 2
WGK Germany: 2 · 2
RTECS: 5950000 · KK5950000
F: 9 · 9-23
TSCA: TSCA listed
HazardClass: 3.2 · 3.2
PackingGroup: III
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 182 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Ethanol, 2-[bis(1-methylethyl)amino]-

Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21097

Ethanol, 2-bis(1-methylethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelCorrosive

Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Reactive GroupAlcohols and Polyols

Reactivity Profile · 1 item

N,N-DIISOPROPYL ETHANOLAMINE is an amino alcohol. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides.

Safety & protection

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Protective Action Criteria (PAC) · 3 items

1.5 [mg/m3]

17 [mg/m3]

99 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Safety data

F: 9-23
wgk: 2
tsca: TSCA listed
rtecs: KK5950000
ridadr: UN 2922 8/PG 2
risk_code: 20/22-24-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 3.2
packing_group: III
Hazard statements: H302-H311+H331-H314
REACH Registrations: Active
Precautionary statements: P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[bis(1-methylethyl)amino]-: ACTIVE

Applications

Uses2-(Diisopropylamino)ethanol is used in method for preparing Fluvardiol catalyzed by carbonyl reductase.

General DescriptionA colorless liquid. Slightly soluble in water and less dense than water. Severely irritates skin and eyes. Flash point 175°F. Used to make other chemicals.